Computationally driven discovery of SARS-CoV-2 M<sup>pro</sup> inhibitors: from design to experimental validation.

El Khoury L, Jing Z, Cuzzolin A, Deplano A, Loco D, Sattarov B, Hédin F, Wendeborn S, Ho C, El Ahdab D, Jaffrelot Inizan T, Sturlese M, Sosic A, Volpiana M, Lugato A, Barone M, Gatto B, Macchia ML, Bellanda M, Battistutta R, Salata C, Kondratov I, Iminov R, Khairulin A, Mykhalonok Y, Pochepko A, Chashka-Ratushnyi V, Kos I, Moro S, Montes M, Ren P, Ponder JW, Lagardère L, Piquemal JP, Sabbadin D.

Open source

DOI: 10.1039/d1sc05892d
Published: 2022-02-10
Container: Chem Sci
Publisher: Not recorded
Open access: yes

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Cite this work

BibTeX

@article{allodium:10.1039/d1sc05892d,
  title = {Computationally driven discovery of SARS-CoV-2 M<sup>pro</sup> inhibitors: from design to experimental validation.},
  author = {El Khoury L and  Jing Z and  Cuzzolin A and  Deplano A and  Loco D and  Sattarov B and  Hédin F and  Wendeborn S and  Ho C and  El Ahdab D and  Jaffrelot Inizan T and  Sturlese M and  Sosic A and  Volpiana M and  Lugato A and  Barone M and  Gatto B and  Macchia ML and  Bellanda M and  Battistutta R and  Salata C and  Kondratov I and  Iminov R and  Khairulin A and  Mykhalonok Y and  Pochepko A and  Chashka-Ratushnyi V and  Kos I and  Moro S and  Montes M and  Ren P and  Ponder JW and  Lagardère L and  Piquemal JP and  Sabbadin D.},
  year = {2022},
  journal = {Chem Sci},
  doi = {10.1039/d1sc05892d},
  url = {https://doi.org/10.1039/d1sc05892d}
}

RIS

TY  - JOUR
TI  - Computationally driven discovery of SARS-CoV-2 M<sup>pro</sup> inhibitors: from design to experimental validation.
AU  - El Khoury L
AU  -  Jing Z
AU  -  Cuzzolin A
AU  -  Deplano A
AU  -  Loco D
AU  -  Sattarov B
AU  -  Hédin F
AU  -  Wendeborn S
AU  -  Ho C
AU  -  El Ahdab D
AU  -  Jaffrelot Inizan T
AU  -  Sturlese M
AU  -  Sosic A
AU  -  Volpiana M
AU  -  Lugato A
AU  -  Barone M
AU  -  Gatto B
AU  -  Macchia ML
AU  -  Bellanda M
AU  -  Battistutta R
AU  -  Salata C
AU  -  Kondratov I
AU  -  Iminov R
AU  -  Khairulin A
AU  -  Mykhalonok Y
AU  -  Pochepko A
AU  -  Chashka-Ratushnyi V
AU  -  Kos I
AU  -  Moro S
AU  -  Montes M
AU  -  Ren P
AU  -  Ponder JW
AU  -  Lagardère L
AU  -  Piquemal JP
AU  -  Sabbadin D.
PY  - 2022
JO  - Chem Sci
DO  - 10.1039/d1sc05892d
UR  - https://doi.org/10.1039/d1sc05892d
ER  -

APA

L, E. K., Z, J., A, C., A, D., D, L., B, S., F, H., S, W., C, H., D, E. A., T, J. I., M, S., A, S., M, V., A, L., M, B., B, G., ML, M., M, B., R, B., C, S., I, K., R, I., A, K., Y, M., A, P., V, C., I, K., S, M., M, M., P, R., JW, P., L, L., JP, P., & D., S. (2022). Computationally driven discovery of SARS-CoV-2 M<sup>pro</sup> inhibitors: from design to experimental validation.. Chem Sci. https://doi.org/10.1039/d1sc05892d

Source records

europe-pmc · retrieved 2026-09-26T14:03:18.341Z
hal · retrieved 2026-09-26T14:03:18.338Z